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Basic Information
CAS No.: 321126-82-3
Name: 8-Amino-2H-1,4-benzoxazin-3(4H)-one
Article Data: 17
Molecular Structure:
Molecular Structure of 321126-82-3 (8-Amino-2H-1,4-benzoxazin-3(4H)-one)
Formula: C8H8N2O2
Molecular Weight: 164.16
Synonyms: 8-Amino-2H-1,4-benzoxazin-3(4H)-one;8-Amino-2,3-dihydro-3-oxo-4H-1,4-benzoxazine;8-Amino-2H-benzo[b][1,4]oxazin-3(4H)-one;
Density: 1.344 g/cm3
Melting Point: 300 °C
Boiling Point: 407.658 °C at 760 mmHg
Flash Point: 200.345 °C
Hazard Symbols: IrritantXi
Risk Codes: 22
PSA: 67.84000
LogP: 1.26600
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Specification

The 2H-1,4-Benzoxazin-3(4H)-one, 8-amino-, with the CAS registry number 321126-82-3, is also known as 8-Amino-2,3-dihydro-3-oxo-4H-1,4-benzoxazine. This chemical's molecular formula is C8H8N2O2 and molecular weight is 164.16. What's more, its systematic name is 8-Amino-2H-1,4-benzoxazin-3(4H)-one.

Physical properties of 2H-1,4-Benzoxazin-3(4H)-one, 8-amino- are: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 64.35 Å2; (7)Index of Refraction: 1.624; (8)Molar Refractivity: 43.135 cm3; (9)Molar Volume: 122.117 cm3; (10)Polarizability: 17.1×10-24 cm3; (11)Surface Tension: 56.073 dyne/cm; (12)Density: 1.344 g/cm3; (13)Flash Point: 200.345 °C; (14)Enthalpy of Vaporization: 65.957 kJ/mol; (15)Boiling Point: 407.658 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1Nc2c(OC1)c(ccc2)N
(2)InChI: InChI=1S/C8H8N2O2/c9-5-2-1-3-6-8(5)12-4-7(11)10-6/h1-3H,4,9H2,(H,10,11)
(3)InChIKey: ACJWMXHKIDYANL-UHFFFAOYSA-N